(3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C15H20N2O — CID 102040500

IUPAC(3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCCC[C@H]1N(c2ccccc2)C(=O)[C@@H]2CCCN21
InChIInChI=1S/C15H20N2O/c1-2-7-14-16-11-6-10-13(16)15(18)17(14)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3/t13-,14+/m0/s1
InChIKeyFQKHCKYKTURWFB-UONOGXRCSA-N
MW244.34 g/mol
LogP2.62
Rot. Bonds3

About (3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

(3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 102040500) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name(3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID102040500
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCCC[C@H]1N(c2ccccc2)C(=O)[C@@H]2CCCN21
InChIInChI=1S/C15H20N2O/c1-2-7-14-16-11-6-10-13(16)15(18)17(14)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3/t13-,14+/m0/s1
InChIKeyFQKHCKYKTURWFB-UONOGXRCSA-N
XLogP2.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of (3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 102040500) is (3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for (3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for (3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is CCC[C@H]1N(c2ccccc2)C(=O)[C@@H]2CCCN21.
What is the InChIKey of (3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is FQKHCKYKTURWFB-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-7-14-16-11-6-10-13(16)15(18)17(14)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of (3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
(3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 244.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7aS)-2-phenyl-3-propyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 102040500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).